N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

C14H25N3 — CID 112742437

IUPACN-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1cnn(C)c1C1CCC1CNCC(C)C
InChIInChI=1S/C14H25N3/c1-10(2)7-15-9-12-5-6-13(12)14-11(3)8-16-17(14)4/h8,10,12-13,15H,5-7,9H2,1-4H3
InChIKeyFBWYXMBNHBJQFR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.47
Rot. Bonds5

About N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 112742437) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID112742437
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCc1cnn(C)c1C1CCC1CNCC(C)C
InChIInChI=1S/C14H25N3/c1-10(2)7-15-9-12-5-6-13(12)14-11(3)8-16-17(14)4/h8,10,12-13,15H,5-7,9H2,1-4H3
InChIKeyFBWYXMBNHBJQFR-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667269
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114667176
N-[[2-(5,6-dimethylbenzimidazol-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998510
2-(1,4-dimethylpyrazol-5-yl)cyclopentan-1-amine
CID 130527557
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666974
N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 103434698
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032734
N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114667530

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 112742437) is N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is Cc1cnn(C)c1C1CCC1CNCC(C)C.
What is the InChIKey of N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FBWYXMBNHBJQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)7-15-9-12-5-6-13(12)14-11(3)8-16-17(14)4/h8,10,12-13,15H,5-7,9H2,1-4H3.
What are the key properties of N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 112742437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).